methyl 2-[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylacetate CAS Name: 2-[[1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]acetic acid methyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SCC(=O)OC

InChI

InChI=1S/C16H22N2O5S2/c1-12(24-11-15(19)23-2)16(20)17-13-5-7-14(8-6-13)25(21,22)18-9-3-4-10-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20)